Elismetrep Report issue

Small molecule Experimental
AACT

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Chemistry

Mol. Mass

542.54

ALogP

6.1

Rule of 5

No

Rule of 3

No
Details
  • SMILES: O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ncc3ccccc3c2C2CC2)cc1
  • InChIKey: CWEFDWIKLABKBX-UHFFFAOYSA-N
    InChI=1S/C27H21F3N2O5S/c28-27(29,30)37-21-11-5-17(6-12-21)16-32(38(35,36)22-13-9-19(10-14-22)26(33)34)25-24(18-7-8-18)23-4-2-1-3-20(23)15-31-25/h1-6,9-15,18H,7-8,16H2,(H,33,34)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3682589   ChEMBL
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